0 B18R3.2910 Cc1nc(no1)C2CCCc3c2cccc3 270196a_100011214866_100000070787 [0,1,0,0,0,0|1,0,2]=4 1 B18R3.2910 Cc1noc(n1)C2CCCc3c2cccc3 270196a_100000212224_100011198263 [0,1,0,0,0,0|2,0,1]=4 2 B18R3.2910 Oc1nc(no1)C2CCCc3c2cccc3 270196a_100011214866_100015183105 [0,1,0,0,0,0|1,0,2]=4 3 B16R2.100 CCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210202 [0,0,1,0,0,0|1,0,2]=4 4 B16R2.2257 c1cc(ccn1)CCOCC2=NCCN2 34a_100011216225_100000737910 [0,0,1,0,0,0|2,0,0]=3 5 B16R2.2257 c1cc(ccn1)CCSCC2=NCCN2 62a_100000723409_100000737910 [0,0,1,0,0,0|2,0,0]=3 6 B16R2.2257 c1cc(ccn1)CCSCC2=NCCN2 62a_100000737910_100000723409 [0,0,1,0,0,0|2,0,0]=3 7 B16R2.2257 c1ccc(cc1)CCCCN2CCCC2 2230a_100000188435_100000701786 [0,0,1,0,0,0|3,0,0]=4 8 B16R2.2257 c1ccc(cc1)CCCCN2CCCC2 269982a_100000188435_100000701786 [0,0,1,0,0,0|3,0,0]=4 9 B16R2.2257 c1ccc(cc1)CCCSc2ncc[nH]2 62a_100000211621_100025796157 [0,0,1,0,0,0|1,0,2]=4 10 B16R2.2257 c1ccc(cc1)CCCSc2ncc[nH]2 62a_100025796157_100000211621 [0,0,1,0,0,0|1,0,2]=4 11 B16R2.2257 c1ccc(cc1)CCNCC2=NCCN2 34a_100000106460_100000737910 [0,0,1,0,0,0|1,0,0]=2 12 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 207a_100000106460_100000743867 [0,0,1,0,0,0|1,0,2]=4 13 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 2230a_100000106460_100016991755 [0,0,1,0,0,0|1,0,2]=4 14 B16R2.2257 c1ccc(cc1)CCNCc2ncc[nH]2 34a_100000106460_100016991755 [0,0,1,0,0,0|1,0,2]=4 15 B16R2.2257 c1ccc(cc1)CCNCc2nnc[nH]2 2230a_200015183720_100000765856 [0,0,1,0,0,0|2,0,1]=4 16 B16R2.2257 c1ccc(cc1)CCNCc2nnn[nH]2 34a_100000106460_100000765167 [0,0,1,0,0,0|3,0,0]=4 17 B16R2.2257 c1ccc(cc1)CCOCC2=NCCN2 34a_100000210268_100000737910 [0,0,1,0,0,0|1,0,0]=2 18 B16R2.2257 c1ccc(cc1)CCOCC2=NCCN2 7a_100000210268_100000737910 [0,0,1,0,0,0|1,0,0]=2 19 B16R2.2257 c1ccc(cc1)CCOC[C@H]2CCCN2 34a_100000745186_100000765856 [0,0,1,0,0,0|2,0,1]=4 20 B16R2.2257 c1ccc(cc1)CCOCc2ncc[nH]2 34a_100000210268_100016991755 [0,0,1,0,0,0|1,0,2]=4 21 B16R2.2257 c1ccc(cc1)CCOCc2ncc[nH]2 7a_100000210268_100000753453 [0,0,1,0,0,0|1,0,2]=4 22 B16R2.2257 c1ccc(cc1)CCOCc2nnn[nH]2 34a_100000210268_100000765167 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.2257 c1ccc(cc1)CCOCc2nnn[nH]2 7a_100000210268_100000765167 [0,0,1,0,0,0|3,0,0]=4 24 B16R2.2257 c1ccc(cc1)CCSCC2=NCCN2 62a_100000737910_100011218657 [0,0,1,0,0,0|1,0,0]=2 25 B16R2.2257 c1ccc(cc1)CCSCC2=NCCN2 62a_100000765856_100000737910 [0,0,1,0,0,0|1,0,0]=2 26 B16R2.2257 c1ccc(cc1)CCSCc2ncc[nH]2 62a_100000765856_100016991755 [0,0,1,0,0,0|1,0,2]=4 27 B16R2.2257 c1ccc(cc1)CCSCc2ncc[nH]2 62a_100016991755_100011218657 [0,0,1,0,0,0|1,0,2]=4 28 B16R2.2257 c1ccc(cc1)CCSCc2nnn[nH]2 62a_100000765167_100011218657 [0,0,1,0,0,0|3,0,0]=4 29 B16R2.2257 c1ccc(cc1)CCSCc2nnn[nH]2 62a_100000765856_100000765167 [0,0,1,0,0,0|3,0,0]=4 30 B16R2.2257 c1ccc(cc1)CNCCc2ncc[nH]2 207a_100000754300_100015611070 [0,0,1,0,0,0|1,0,2]=4 31 B16R2.2257 c1ccc(cc1)CNCCc2ncc[nH]2 270004a_100000754300_100015611070 [0,0,1,0,0,0|1,0,2]=4 32 B16R2.2257 c1ccc(cc1)COCCc2ncc[nH]2 34a_103549771195_100015291786 [0,0,1,0,0,0|1,0,2]=4 33 B16R2.2257 c1ccc(cc1)COCCc2nnn[nH]2 7a_100000210790_100000031946 [0,0,1,0,0,0|3,0,0]=4 34 B16R2.2257 c1ccc(cc1)CSCCc2nnn[nH]2 62a_100000031946_100015291786 [0,0,1,0,0,0|3,0,0]=4 35 B16R2.2257 c1ccc(cc1)CSCCc2nnn[nH]2 62a_100000211182_100000031946 [0,0,1,0,0,0|3,0,0]=4 36 B16R2.2257 c1ccc(cc1)SCSCC2=NCCN2 62a_100000737910_100011218342 [0,0,1,0,0,0|2,0,0]=3 37 B16R2.2257 c1ccc(cc1)SCSCC2=NCCN2 62a_100011218342_100000737910 [0,0,1,0,0,0|2,0,0]=3 38 B16R2.2257 c1ccc(nc1)CCOCC2=NCCN2 34a_100000210271_100000737910 [0,0,1,0,0,0|2,0,0]=3 39 B16R2.2257 c1ccc(nc1)CCSCC2=NCCN2 62a_100000737910_100015183660 [0,0,1,0,0,0|2,0,0]=3 40 B16R2.2257 c1ccc(nc1)CCSCC2=NCCN2 62a_100015183660_100000737910 [0,0,1,0,0,0|2,0,0]=3 41 B16R2.2257 c1cnc(cn1)CCOCC2=NCCN2 34a_100011349526_100000737910 [0,0,1,0,0,0|3,0,0]=4 42 B16R2.2257 c1cncc(c1)CCOCC2=NCCN2 34a_100011217484_100000737910 [0,0,1,0,0,0|2,0,0]=3 43 B16R2.2257 c1cncc(c1)CCSCC2=NCCN2 62a_100000737910_200011713674 [0,0,1,0,0,0|2,0,0]=3 44 B16R2.2257 c1cncc(c1)CCSCC2=NCCN2 62a_200011713674_100000737910 [0,0,1,0,0,0|2,0,0]=3 45 B16R2.2257 c1ncc(cn1)CCOCC2=NCCN2 34a_100011709255_100000737910 [0,0,1,0,0,0|3,0,0]=4 46 B16R2.2304 CCCc1ccccc1CN2CCCC2 26a_100000188435_100011217252 [0,0,1,0,0,0|3,0,0]=4 47 B16R2.50359 CCC=NNC1CCCc2c1cccc2 4a_100159326319_100000210100 [0,0,1,0,0,0|2,0,1]=4 48 B16R2.50359 CCCCNC1CCCc2c1cccc2 269862a_100000102301_100000210882 [0,0,1,0,0,0|3,0,0]=4 49 B16R2.50359 CCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210210 [0,0,1,0,0,0|3,0,0]=4 50 B16R2.50359 CCCCOC1CCCc2c1cccc2 34a_100000183665_100000210210 [0,0,1,0,0,0|3,0,0]=4 51 B16R2.50359 CCCCOC1CCCc2c1cccc2 7a_100000183665_100000210211 [0,0,1,0,0,0|3,0,0]=4 52 B16R2.50359 CCCNCC1OCCc2c1cccc2 2230a_100000755408_100000210303 [0,0,1,0,0,0|2,0,1]=4 53 B16R2.50359 CCCNCC1OCCc2c1cccc2 34a_100000755408_100000210303 [0,0,1,0,0,0|2,0,1]=4 54 B16R2.50359 CCCNN=C1CCCc2c1cccc2 4a_100000740057_100000210882 [0,0,1,0,0,0|2,0,1]=4 55 B16R2.50359 FCCCNC1CCCc2c1cccc2 269862a_100015189416_100000210882 [0,0,1,0,0,0|3,0,0]=4 56 B16R2.50359 FCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011934791 [0,0,1,0,0,0|3,0,0]=4 57 B16R2.50359 FCCCOC1CCCc2c1cccc2 34a_100000183665_100011934791 [0,0,1,0,0,0|3,0,0]=4 58 B16R2.50359 FCCCOC1CCCc2c1cccc2 7a_100000183665_100011934791 [0,0,1,0,0,0|3,0,0]=4 59 B16R2.50359 FCCNCC1OCCc2c1cccc2 2230a_100000755408_100011217306 [0,0,1,0,0,0|2,0,1]=4 60 B16R2.50359 FCCNCC1OCCc2c1cccc2 34a_100000755408_100011217306 [0,0,1,0,0,0|2,0,1]=4 61 B16R2.50359 OCCCNC1CCCc2c1cccc2 269862a_100000182051_100000210882 [0,0,1,0,0,0|3,0,0]=4 62 B16R2.50359 OCCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000230001 [0,0,1,0,0,0|3,0,0]=4 63 B16R2.50359 OCCCOC1CCCc2c1cccc2 34a_100000183665_100000230001 [0,0,1,0,0,0|3,0,0]=4 64 B16R2.50359 OCCCOC1CCCc2c1cccc2 7a_100000183665_100011215043 [0,0,1,0,0,0|3,0,0]=4 65 B16R2.50359 OCCNCC1OCCc2c1cccc2 2230a_100000755408_100000211926 [0,0,1,0,0,0|2,0,1]=4 66 B16R2.50359 OCCNCC1OCCc2c1cccc2 34a_100000755408_100000211926 [0,0,1,0,0,0|2,0,1]=4 67 B16R2.50359 OCCNN=C1CCCc2c1cccc2 4a_100000210001_100000210882 [0,0,1,0,0,0|2,0,1]=4 68 B16R2.160202 CCCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000210303 [0,0,1,0,0,0|2,0,0]=3 69 B16R2.160202 CCCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000210303 [0,0,1,0,0,0|3,0,0]=4 70 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210303 [0,0,1,0,0,0|3,0,0]=4 71 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000210303 [0,0,1,0,0,0|3,0,0]=4 72 B16R2.160202 CCCN(C)C1CCCc2c1cccc2 34a_100000185324_100000210303 [0,0,1,0,0,0|3,0,0]=4 73 B16R2.160202 CCNC(=O)C1CCCc2c1cccc2 11a_100015525214_100011198263 [0,0,1,0,0,0|1,0,0]=2 74 B16R2.160202 CCNC(=O)C1CCCc2c1cccc2 240690a_100015525214_100011198263 [0,0,1,0,0,0|1,0,0]=2 75 B16R2.160202 CCNC(=O)C1CCCc2c1cccc2 527a_100015525214_100011198263 [0,0,1,0,0,0|1,0,0]=2 76 B16R2.160202 CCNC(=O)C1OCCc2c1cccc2 11a_100015525214_100000026751 [0,0,1,0,0,0|2,0,0]=3 77 B16R2.160202 CCNC(=O)C1OCCc2c1cccc2 240690a_100015525214_100000026751 [0,0,1,0,0,0|2,0,0]=3 78 B16R2.160202 CCNC(=O)C1OCCc2c1cccc2 527a_100015525214_100000026751 [0,0,1,0,0,0|2,0,0]=3 79 B16R2.160202 CNNC(=O)C1CCCc2c1cccc2 22a_100016993582_100011198263 [0,0,1,0,0,0|2,0,0]=3 80 B16R2.160202 CNNC(=O)C1OCCc2c1cccc2 22a_100016993582_100000026751 [0,0,1,0,0,0|3,0,0]=4 81 B16R2.160202 O=C(CCF)C1CCCc2c1cccc2 1458a_100011198263_100011217306 [0,0,1,0,0,0|3,0,0]=4 82 B16R2.160202 O=C(CCO)C1CCCc2c1cccc2 1458a_100011198263_100000211926 [0,0,1,0,0,0|3,0,0]=4 83 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 2230a_100000188435_200000721974 [0,0,0,0,1,0|3,0,0]=4 84 B16R3.8 c1ccc2c(c1)CCC2N3CCCC3 269982a_100000188435_200000721974 [0,0,0,0,1,0|3,0,0]=4 85 B18R3.11 c1ccc2c(c1)CCCC2NC3CCCC3 269862a_100000211070_100000210882 [0,0,0,0,0,1|2,0,1]=4 86 B18R3.11 c1ccc2c(c1)CCCC2OC3CCCC3 34a_100000183665_100000179811 [0,0,0,0,0,1|2,0,1]=4 87 B18R3.11 c1ccc2c(c1)CCCC2OC3CCCC3 7a_100000183665_100000179811 [0,0,0,0,0,1|2,0,1]=4 88 B18R3.11 c1ccc2c(c1)CCC[C@@H]2NC3CCCC3 270004a_100020654734_100000210133 [0,0,0,0,0,1|2,0,1]=4 89 B18R3.11 c1ccc2c(c1)CCC[C@@H]2NC3CCCC3 34a_100020654734_100000179811 [0,0,0,0,0,1|2,0,1]=4 90 B18R3.11 c1ccc2c(c1)CCC[C@@H]2Nc3ncns3 27a_100020654734_100000693119 [0,0,0,0,0,1|2,0,1]=4 91 B18R3.11 c1ccc2c(c1)CCC[C@@H]2Nc3nncs3 27a_100020654734_100000739804 [0,0,0,0,0,1|2,0,1]=4 92 B15R2.18471 C#CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000184674 [1,0,1,0,0,0|1,0,1]=4 93 B15R2.18471 C=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_100015514636 [1,0,1,0,0,0|1,0,1]=4 94 B15R2.18471 CC=NNC1CCCc2c1cccc2 4a_100159326319_200000210099 [1,0,1,0,0,0|1,0,1]=4 95 B15R2.18471 CCCNC1CCCc2c1cccc2 269862a_100020643023_100000210882 [1,0,1,0,0,0|1,0,0]=3 96 B15R2.18471 CCCNC1CCCc2c1cccn2 269862a_100020643023_100000058033 [1,0,1,0,0,0|2,0,0]=4 97 B15R2.18471 CCCNC1CCCc2c1ccnc2 2230a_100020634316_100000210303 [1,0,1,0,0,0|2,0,0]=4 98 B15R2.18471 CCCNC1CCCc2c1ccnc2 269862a_100020643023_100000087567 [1,0,1,0,0,0|2,0,0]=4 99 B15R2.18471 CCCNC1CCCc2c1cncc2 269862a_100020643023_100016991936 [1,0,1,0,0,0|2,0,0]=4 100 B15R2.18471 CCCNC1CCCc2c1nccc2 2230a_100011259139_100000210303 [1,0,1,0,0,0|2,0,0]=4 101 B15R2.18471 CCCNC1CCCc2c1nccc2 269862a_100020643023_100000067617 [1,0,1,0,0,0|2,0,0]=4 102 B15R2.18471 CCCNC1CCOc2c1cccc2 2230a_100015190321_100000210303 [1,0,1,0,0,0|2,0,0]=4 103 B15R2.18471 CCCNC1CCSc2c1cccc2 269862a_100020643023_100000183853 [1,0,1,0,0,0|2,0,0]=4 104 B15R2.18471 CCCNC1COCc2c1cccc2 269862a_100020643023_100000117393 [1,0,1,0,0,0|2,0,0]=4 105 B15R2.18471 CCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000210303 [1,0,1,0,0,0|1,0,0]=3 106 B15R2.18471 CCCOC1CCCc2c1cccc2 34a_100000183665_100000210303 [1,0,1,0,0,0|2,0,0]=4 107 B15R2.18471 CCCOC1CCCc2c1cccc2 7a_100000183665_100000210303 [1,0,1,0,0,0|2,0,0]=4 108 B15R2.18471 CCNCC1OCCc2c1cccc2 2230a_100000755408_100000210202 [1,0,1,0,0,0|1,0,1]=4 109 B15R2.18471 CCNCC1OCCc2c1cccc2 34a_100000755408_100000210202 [1,0,1,0,0,0|1,0,1]=4 110 B15R2.18471 CCNN=C1CCCc2c1cccc2 4a_100000756455_100000210882 [1,0,1,0,0,0|1,0,1]=4 111 B15R2.18471 CSCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011218213 [1,0,1,0,0,0|2,0,0]=4 112 B15R2.18471 FCCNC1CCCc2c1cccc2 269862a_100000724931_100000210882 [1,0,1,0,0,0|1,0,0]=3 113 B15R2.18471 FCCNC1CCCc2c1cccn2 269862a_100000724931_100000058033 [1,0,1,0,0,0|2,0,0]=4 114 B15R2.18471 FCCNC1CCCc2c1ccnc2 2230a_100020634316_100011217306 [1,0,1,0,0,0|2,0,0]=4 115 B15R2.18471 FCCNC1CCCc2c1ccnc2 269862a_100000724931_100000087567 [1,0,1,0,0,0|2,0,0]=4 116 B15R2.18471 FCCNC1CCCc2c1cncc2 269862a_100000724931_100016991936 [1,0,1,0,0,0|2,0,0]=4 117 B15R2.18471 FCCNC1CCCc2c1nccc2 2230a_100011259139_100011217306 [1,0,1,0,0,0|2,0,0]=4 118 B15R2.18471 FCCNC1CCCc2c1nccc2 269862a_100000724931_100000067617 [1,0,1,0,0,0|2,0,0]=4 119 B15R2.18471 FCCNC1CCOc2c1cccc2 2230a_100015190321_100011217306 [1,0,1,0,0,0|2,0,0]=4 120 B15R2.18471 FCCNC1CCSc2c1cccc2 269862a_100000724931_100000183853 [1,0,1,0,0,0|2,0,0]=4 121 B15R2.18471 FCCNC1COCc2c1cccc2 269862a_100000724931_100000117393 [1,0,1,0,0,0|2,0,0]=4 122 B15R2.18471 FCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100011217306 [1,0,1,0,0,0|1,0,0]=3 123 B15R2.18471 FCCOC1CCCc2c1cccc2 34a_100000183665_100011217306 [1,0,1,0,0,0|2,0,0]=4 124 B15R2.18471 FCCOC1CCCc2c1cccc2 7a_100000183665_100011217306 [1,0,1,0,0,0|2,0,0]=4 125 B15R2.18471 O=CCN[C@H]1CCCc2c1cccc2 34a_100020654734_200009817547 [1,0,1,0,0,0|1,0,1]=4 126 B15R2.18471 OCCNC1CCCc2c1cccc2 269862a_100000210304_100000210882 [1,0,1,0,0,0|1,0,0]=3 127 B15R2.18471 OCCNC1CCCc2c1cccn2 269862a_100000210304_100000058033 [1,0,1,0,0,0|2,0,0]=4 128 B15R2.18471 OCCNC1CCCc2c1ccnc2 2230a_100020634316_100000211926 [1,0,1,0,0,0|2,0,0]=4 129 B15R2.18471 OCCNC1CCCc2c1ccnc2 269862a_100000210304_100000087567 [1,0,1,0,0,0|2,0,0]=4 130 B15R2.18471 OCCNC1CCCc2c1cncc2 269862a_100000210304_100016991936 [1,0,1,0,0,0|2,0,0]=4 131 B15R2.18471 OCCNC1CCCc2c1nccc2 2230a_100011259139_100000211926 [1,0,1,0,0,0|2,0,0]=4 132 B15R2.18471 OCCNC1CCCc2c1nccc2 269862a_100000210304_100000067617 [1,0,1,0,0,0|2,0,0]=4 133 B15R2.18471 OCCNC1CCOc2c1cccc2 2230a_100015190321_100000211926 [1,0,1,0,0,0|2,0,0]=4 134 B15R2.18471 OCCNC1CCSc2c1cccc2 269862a_100000210304_100000183853 [1,0,1,0,0,0|2,0,0]=4 135 B15R2.18471 OCCNC1COCc2c1cccc2 269862a_100000210304_100000117393 [1,0,1,0,0,0|2,0,0]=4 136 B15R2.18471 OCCN[C@H]1CCCc2c1cccc2 34a_100020654734_100000211926 [1,0,1,0,0,0|1,0,0]=3 137 B15R2.18471 OCCOC1CCCc2c1cccc2 34a_100000183665_100000211926 [1,0,1,0,0,0|2,0,0]=4 138 B15R2.18471 OCCOC1CCCc2c1cccc2 7a_100000183665_100000211926 [1,0,1,0,0,0|2,0,0]=4 139 B15R2.79765 CCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000210202 [1,0,1,0,0,0|1,0,0]=3 140 B15R2.79765 CCC(=O)C1OCCc2c1cccc2 1458a_100000026751_100000210202 [1,0,1,0,0,0|2,0,0]=4 141 B15R2.79765 CCN(C)C1CCCc2c1cccc2 2230a_100000185324_100000210202 [1,0,1,0,0,0|2,0,0]=4 142 B15R2.79765 CCN(C)C1CCCc2c1cccc2 269982a_100000185324_100000204670 [1,0,1,0,0,0|2,0,0]=4 143 B15R2.79765 CCN(C)C1CCCc2c1cccc2 34a_100000185324_100000210202 [1,0,1,0,0,0|2,0,0]=4 144 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 11a_106832991635_100011198263 [1,0,1,0,0,0|1,0,0]=3 145 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 1626a_100102657272_100011198263 [1,0,1,0,0,0|1,0,0]=3 146 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 240690a_100102657272_100011198263 [1,0,1,0,0,0|1,0,0]=3 147 B15R2.79765 CNC(=O)C1CCCc2c1cccc2 527a_100102657272_100011198263 [1,0,1,0,0,0|1,0,0]=3 148 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 11a_106832991635_100000026751 [1,0,1,0,0,0|2,0,0]=4 149 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 1626a_100102657272_100000026751 [1,0,1,0,0,0|2,0,0]=4 150 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 240690a_100102657272_100000026751 [1,0,1,0,0,0|2,0,0]=4 151 B15R2.79765 CNC(=O)C1OCCc2c1cccc2 527a_100102657272_100000026751 [1,0,1,0,0,0|2,0,0]=4 152 B15R2.79765 O=C(CF)C1CCCc2c1cccc2 1458a_100011198263_100015361967 [1,0,1,0,0,0|2,0,0]=4 153 B17R2.42 CCCOC(c1ccccc1)c2ncc[nH]2 7a_100000181881_100000210303 [0,1,1,0,0,0|0,0,2]=4 154 B17R2.346 Brc1ccc(cc1)CCNCC2=NCCN2 34a_100000755846_100000737910 [0,1,1,0,0,0|1,0,0]=3 155 B17R2.346 Brc1ccc(cc1)CCOCC2=NCCN2 34a_100000766406_100000737910 [0,1,1,0,0,0|1,0,0]=3 156 B17R2.346 Brc1ccc(cc1)CCOCC2=NCCN2 7a_100000766406_100000737910 [0,1,1,0,0,0|1,0,0]=3 157 B17R2.346 Brc1ccc(cc1)CCSCC2=NCCN2 62a_100000737910_100011740612 [0,1,1,0,0,0|1,0,0]=3 158 B17R2.346 Brc1ccc(cc1)CCSCC2=NCCN2 62a_100011740612_100000737910 [0,1,1,0,0,0|1,0,0]=3 159 B17R2.346 Brc1ccc(nc1)CCOCC2=NCCN2 34a_100012357577_100000737910 [0,1,1,0,0,0|2,0,0]=4 160 B17R2.346 Cc1ccc(cc1)CCNCC2=NCCN2 34a_100000705350_100000737910 [0,1,1,0,0,0|1,0,0]=3 161 B17R2.346 Cc1ccc(cc1)CCOCC2=NCCN2 34a_100000756670_100000737910 [0,1,1,0,0,0|1,0,0]=3 162 B17R2.346 Cc1ccc(cc1)CCOCC2=NCCN2 7a_100000756670_100000737910 [0,1,1,0,0,0|1,0,0]=3 163 B17R2.346 Cc1ccc(cc1)CCSCC2=NCCN2 62a_100000737910_100011713686 [0,1,1,0,0,0|1,0,0]=3 164 B17R2.346 Cc1ccc(cc1)CCSCC2=NCCN2 62a_100011713686_100000737910 [0,1,1,0,0,0|1,0,0]=3 165 B17R2.346 Cc1ccc(cn1)CCOCC2=NCCN2 34a_100011815783_100000737910 [0,1,1,0,0,0|2,0,0]=4 166 B17R2.346 Clc1ccc(cc1)CCNCC2=NCCN2 34a_100000185265_100000737910 [0,1,1,0,0,0|1,0,0]=3 167 B17R2.346 Clc1ccc(cc1)CCOCC2=NCCN2 34a_100011219627_100000737910 [0,1,1,0,0,0|1,0,0]=3 168 B17R2.346 Clc1ccc(cc1)CCOCC2=NCCN2 7a_100011219627_100000737910 [0,1,1,0,0,0|1,0,0]=3 169 B17R2.346 Clc1ccc(cc1)CCSCC2=NCCN2 62a_100000737910_100011713675 [0,1,1,0,0,0|1,0,0]=3 170 B17R2.346 Clc1ccc(cc1)CCSCC2=NCCN2 62a_100011713675_100000737910 [0,1,1,0,0,0|1,0,0]=3 171 B17R2.346 Clc1ccc(cn1)CCOCC2=NCCN2 34a_100009880866_100000737910 [0,1,1,0,0,0|2,0,0]=4 172 B17R2.346 Clc1ccc(cn1)CCOCC2=NCCN2 7a_100009880866_100000737910 [0,1,1,0,0,0|2,0,0]=4 173 B17R2.346 Fc1ccc(cc1)CCNCC2=NCCN2 34a_100000199005_100000737910 [0,1,1,0,0,0|1,0,0]=3 174 B17R2.346 Fc1ccc(cc1)CCOCC2=NCCN2 34a_100000754732_100000737910 [0,1,1,0,0,0|1,0,0]=3 175 B17R2.346 Fc1ccc(cc1)CCOCC2=NCCN2 7a_100000754732_100000737910 [0,1,1,0,0,0|1,0,0]=3 176 B17R2.346 Fc1ccc(cc1)CCSCC2=NCCN2 62a_100000737910_100011217392 [0,1,1,0,0,0|1,0,0]=3 177 B17R2.346 Fc1ccc(cc1)CCSCC2=NCCN2 62a_100011217392_100000737910 [0,1,1,0,0,0|1,0,0]=3 178 B17R2.346 Ic1ccc(cc1)CCOCC2=NCCN2 34a_100012291149_100000737910 [0,1,1,0,0,0|1,0,0]=3 179 B17R2.346 Ic1ccc(cc1)CCOCC2=NCCN2 7a_100012291149_100000737910 [0,1,1,0,0,0|1,0,0]=3 180 B17R2.346 Nc1ccc(cc1)CCOCC2=NCCN2 34a_100011204434_100000737910 [0,1,1,0,0,0|1,0,0]=3 181 B17R2.346 Oc1ccc(cc1)CCNCC2=NCCN2 34a_100000743037_100000737910 [0,1,1,0,0,0|1,0,0]=3 182 B17R2.346 Oc1ccc(cc1)CCSCC2=NCCN2 62a_100000737910_100009816426 [0,1,1,0,0,0|1,0,0]=3 183 B17R2.346 Oc1ccc(cc1)CCSCC2=NCCN2 62a_100009816426_100000737910 [0,1,1,0,0,0|1,0,0]=3 184 B17R2.3366 Brc1cccc(c1)CCNCC2=NCCN2 34a_100011207229_100000737910 [0,1,1,0,0,0|1,0,0]=3 185 B17R2.3366 Brc1cccc(c1)CCOCC2=NCCN2 34a_100011217444_100000737910 [0,1,1,0,0,0|1,0,0]=3 186 B17R2.3366 Brc1cccc(c1)CCOCC2=NCCN2 7a_100011217444_100000737910 [0,1,1,0,0,0|1,0,0]=3 187 B17R2.3366 Brc1cccc(c1)CCSCC2=NCCN2 62a_100000737910_100011740638 [0,1,1,0,0,0|1,0,0]=3 188 B17R2.3366 Brc1cccc(c1)CCSCC2=NCCN2 62a_100011740638_100000737910 [0,1,1,0,0,0|1,0,0]=3 189 B17R2.3366 Brc1cccc(n1)CCOCC2=NCCN2 34a_100010221043_100000737910 [0,1,1,0,0,0|2,0,0]=4 190 B17R2.3366 Brc1cccc(n1)CCOCC2=NCCN2 7a_100010221043_100000737910 [0,1,1,0,0,0|2,0,0]=4 191 B17R2.3366 Cc1cccc(c1)CCNCC2=NCCN2 34a_100000749837_100000737910 [0,1,1,0,0,0|1,0,0]=3 192 B17R2.3366 Cc1cccc(c1)CCOCC2=NCCN2 34a_100011217157_100000737910 [0,1,1,0,0,0|1,0,0]=3 193 B17R2.3366 Cc1cccc(c1)CCOCC2=NCCN2 7a_100011217157_100000737910 [0,1,1,0,0,0|1,0,0]=3 194 B17R2.3366 Cc1cccc(c1)CCSCC2=NCCN2 62a_100000737910_100011713685 [0,1,1,0,0,0|1,0,0]=3 195 B17R2.3366 Cc1cccc(c1)CCSCC2=NCCN2 62a_100011713685_100000737910 [0,1,1,0,0,0|1,0,0]=3 196 B17R2.3366 Cc1cccc(n1)CCNCC2=NCCN2 34a_100011824523_100000737910 [0,1,1,0,0,0|2,0,0]=4 197 B17R2.3366 Clc1cccc(c1)CCNCC2=NCCN2 34a_100000185263_100000737910 [0,1,1,0,0,0|1,0,0]=3 198 B17R2.3366 Clc1cccc(c1)CCOCC2=NCCN2 34a_100000754733_100000737910 [0,1,1,0,0,0|1,0,0]=3 199 B17R2.3366 Clc1cccc(c1)CCOCC2=NCCN2 7a_100000754733_100000737910 [0,1,1,0,0,0|1,0,0]=3 200 B17R2.3366 Clc1cccc(c1)CCSCC2=NCCN2 62a_100000737910_100011713710 [0,1,1,0,0,0|1,0,0]=3 201 B17R2.3366 Clc1cccc(c1)CCSCC2=NCCN2 62a_100011713710_100000737910 [0,1,1,0,0,0|1,0,0]=3 202 B17R2.3366 Fc1cccc(c1)CCNCC2=NCCN2 34a_100000205154_100000737910 [0,1,1,0,0,0|1,0,0]=3 203 B17R2.3366 Fc1cccc(c1)CCOCC2=NCCN2 34a_100000763591_100000737910 [0,1,1,0,0,0|1,0,0]=3 204 B17R2.3366 Fc1cccc(c1)CCOCC2=NCCN2 7a_100000763591_100000737910 [0,1,1,0,0,0|1,0,0]=3 205 B17R2.3366 Fc1cccc(c1)CCSCC2=NCCN2 62a_100000737910_100011217235 [0,1,1,0,0,0|1,0,0]=3 206 B17R2.3366 Fc1cccc(c1)CCSCC2=NCCN2 62a_100011217235_100000737910 [0,1,1,0,0,0|1,0,0]=3 207 B17R2.3366 Nc1cccc(c1)CCOCC2=NCCN2 34a_100011996697_100000737910 [0,1,1,0,0,0|1,0,0]=3 208 B17R2.3366 Oc1cccc(c1)CCNCC2=NCCN2 34a_100000747277_100000737910 [0,1,1,0,0,0|1,0,0]=3 209 B17R2.3430 Brc1ccccc1CCNCC2=NCCN2 34a_100000747383_100000737910 [0,1,1,0,0,0|1,0,0]=3 210 B17R2.3430 Brc1ccccc1CCOCC2=NCCN2 34a_100000731337_100000737910 [0,1,1,0,0,0|1,0,0]=3 211 B17R2.3430 Brc1ccccc1CCOCC2=NCCN2 7a_100000731337_100000737910 [0,1,1,0,0,0|1,0,0]=3 212 B17R2.3430 Brc1ccccc1CCSCC2=NCCN2 62a_100000737910_100012161201 [0,1,1,0,0,0|1,0,0]=3 213 B17R2.3430 Brc1ccccc1CCSCC2=NCCN2 62a_100012161201_100000737910 [0,1,1,0,0,0|1,0,0]=3 214 B17R2.3430 Cc1ccccc1CCNCC2=NCCN2 34a_100000685071_100000737910 [0,1,1,0,0,0|1,0,0]=3 215 B17R2.3430 Cc1ccccc1CCOCC2=NCCN2 34a_100011220023_100000737910 [0,1,1,0,0,0|1,0,0]=3 216 B17R2.3430 Cc1ccccc1CCOCC2=NCCN2 7a_100011220023_100000737910 [0,1,1,0,0,0|1,0,0]=3 217 B17R2.3430 Cc1ccccc1CCSCC2=NCCN2 62a_100000737910_100011713688 [0,1,1,0,0,0|1,0,0]=3 218 B17R2.3430 Cc1ccccc1CCSCC2=NCCN2 62a_100011713688_100000737910 [0,1,1,0,0,0|1,0,0]=3 219 B17R2.3430 Cc1cccnc1CCOCC2=NCCN2 34a_100011997706_100000737910 [0,1,1,0,0,0|2,0,0]=4 220 B17R2.3430 Cc1cccnc1CCOCC2=NCCN2 7a_100011997706_100000737910 [0,1,1,0,0,0|2,0,0]=4 221 B17R2.3430 Clc1ccccc1CCNCC2=NCCN2 34a_100011207228_100000737910 [0,1,1,0,0,0|1,0,0]=3 222 B17R2.3430 Clc1ccccc1CCOCC2=NCCN2 34a_100011215284_100000737910 [0,1,1,0,0,0|1,0,0]=3 223 B17R2.3430 Clc1ccccc1CCOCC2=NCCN2 7a_100011215284_100000737910 [0,1,1,0,0,0|1,0,0]=3 224 B17R2.3430 Clc1ccccc1CCSCC2=NCCN2 62a_100000737910_100011713703 [0,1,1,0,0,0|1,0,0]=3 225 B17R2.3430 Clc1ccccc1CCSCC2=NCCN2 62a_100011713703_100000737910 [0,1,1,0,0,0|1,0,0]=3 226 B17R2.3430 Fc1ccccc1CCNCC2=NCCN2 34a_100000185272_100000737910 [0,1,1,0,0,0|1,0,0]=3 227 B17R2.3430 Fc1ccccc1CCOCC2=NCCN2 34a_100000753711_100000737910 [0,1,1,0,0,0|1,0,0]=3 228 B17R2.3430 Fc1ccccc1CCOCC2=NCCN2 7a_100000753711_100000737910 [0,1,1,0,0,0|1,0,0]=3 229 B17R2.3430 Fc1ccccc1CCSCC2=NCCN2 62a_100000737910_100011713696 [0,1,1,0,0,0|1,0,0]=3 230 B17R2.3430 Fc1ccccc1CCSCC2=NCCN2 62a_100011713696_100000737910 [0,1,1,0,0,0|1,0,0]=3 231 B17R2.3430 Ic1ccccc1CCOCC2=NCCN2 34a_100010255290_100000737910 [0,1,1,0,0,0|1,0,0]=3 232 B17R2.3430 Ic1ccccc1CCOCC2=NCCN2 7a_100010255290_100000737910 [0,1,1,0,0,0|1,0,0]=3 233 B17R2.3430 Nc1ccccc1CCOCC2=NCCN2 34a_100011215289_100000737910 [0,1,1,0,0,0|1,0,0]=3 234 B17R2.3430 Oc1ccccc1CCNCC2=NCCN2 34a_100011207237_100000737910 [0,1,1,0,0,0|1,0,0]=3 235 B17R2.3430 Oc1ccccc1CCSCC2=NCCN2 62a_100000722297_100000737910 [0,1,1,0,0,0|1,0,0]=3 236 B17R2.3430 Oc1ccccc1CCSCC2=NCCN2 62a_100000737910_100000722297 [0,1,1,0,0,0|1,0,0]=3 237 B17R2.8341 CC(Cc1ccccc1)OCC2=NCCN2 34a_100000748627_100000737910 [0,1,1,0,0,0|1,0,0]=3 238 B17R2.8341 CC(Cc1ccccc1)OCC2=NCCN2 7a_100000748627_100000737910 [0,1,1,0,0,0|1,0,0]=3 239 B17R2.8341 CC(Cc1ccccc1)SCC2=NCCN2 62a_100000737910_200011218536 [0,1,1,0,0,0|1,0,0]=3 240 B17R2.8341 CC(Cc1ccccc1)SCC2=NCCN2 62a_200011218536_100000737910 [0,1,1,0,0,0|1,0,0]=3 241 B17R2.8343 CN(CCc1ccccc1)CC2=NCCN2 269982a_100000207497_100000737910 [0,1,1,0,0,0|1,0,0]=3 242 B17R2.8343 CN(CCc1ccccn1)CC2=NCCN2 269982a_100000737206_100000737910 [0,1,1,0,0,0|2,0,0]=4 243 B17R2.8343 CN(CCc1cccnc1)CC2=NCCN2 269982a_100000763209_100000737910 [0,1,1,0,0,0|2,0,0]=4 244 B17R2.8343 CN(CCc1ccncc1)CC2=NCCN2 269982a_100000742850_100000737910 [0,1,1,0,0,0|2,0,0]=4 245 B17R2.45544 CC(CNCC1=NCCN1)c2ccccc2 34a_100000701038_100000737910 [0,1,1,0,0,0|1,0,0]=3 246 B17R2.45544 CC(COCC1=NCCN1)c2ccccc2 34a_100011215166_100000737910 [0,1,1,0,0,0|1,0,0]=3 247 B17R2.45544 CC(COCC1=NCCN1)c2ccccc2 7a_100011215166_100000737910 [0,1,1,0,0,0|1,0,0]=3 248 B17R2.45544 CC(CSCC1=NCCN1)c2ccccc2 62a_100000737910_100000756946 [0,1,1,0,0,0|1,0,0]=3 249 B17R2.45544 CC(CSCC1=NCCN1)c2ccccc2 62a_100000756946_100000737910 [0,1,1,0,0,0|1,0,0]=3 250 B17R2.45544 N[C@H](COCC1=NCCN1)c2ccccc2 34a_100000751927_100000737910 [0,1,1,0,0,0|1,0,0]=3 251 B17R2.45544 N[C@H](COCC1=NCCN1)c2ccncc2 34a_100138412524_100000737910 [0,1,1,0,0,0|2,0,0]=4 252 B17R2.45544 O=C(CSCC1=NCCN1)c2ccccc2 62a_100000211460_100000737910 [0,1,1,0,0,0|1,0,1]=4 253 B17R2.45544 O=C(CSCC1=NCCN1)c2ccccc2 62a_100000737910_100000211460 [0,1,1,0,0,0|1,0,1]=4 254 B17R2.45544 O=S(CSCC1=NCCN1)c2ccccc2 62a_100000737910_100000031784 [0,1,1,0,0,0|2,0,0]=4 255 B17R2.45544 OC(CSCC1=NCCN1)c2ccccc2 62a_100000185958_100000737910 [0,1,1,0,0,0|1,0,0]=3 256 B17R2.45544 OC(CSCC1=NCCN1)c2ccccc2 62a_100000737910_100000185958 [0,1,1,0,0,0|1,0,0]=3 257 B17R2.45544 O[C@H](CSCC1=NCCN1)c2ccccc2 62a_100000737910_100011933945 [0,1,1,0,0,0|1,0,0]=3 258 B17R2.45544 O[C@H](CSCC1=NCCN1)c2ccccc2 62a_100011933945_100000737910 [0,1,1,0,0,0|1,0,0]=3 259 B17R2.74164 CCCNCC1(CCCc2c1cccc2)O 2230a_100000753875_100000210303 [0,1,1,0,0,0|1,0,1]=4 260 B17R2.74164 CCCNCC1(CCCc2c1cccc2)O 34a_100000753875_100000210303 [0,1,1,0,0,0|1,0,1]=4 261 B17R2.74164 OC1(CCCc2c1cccc2)CNCCF 2230a_100000753875_100011217306 [0,1,1,0,0,0|1,0,1]=4 262 B17R2.74164 OC1(CCCc2c1cccc2)CNCCF 34a_100000753875_100011217306 [0,1,1,0,0,0|1,0,1]=4 263 B17R2.74164 OCCNCC1(CCCc2c1cccc2)O 2230a_100000753875_100000211926 [0,1,1,0,0,0|1,0,1]=4 264 B17R2.74164 OCCNCC1(CCCc2c1cccc2)O 34a_100000753875_100000211926 [0,1,1,0,0,0|1,0,1]=4 265 B17R2.148072 CCCC=NNC1CCCc2c1cccc2 4a_100159326319_100000185831 [0,1,1,0,0,0|2,0,0]=4 266 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 11a_100000212058_100011198263 [0,1,1,0,0,0|1,0,1]=4 267 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 1626a_100000212058_100011198263 [0,1,1,0,0,0|1,0,1]=4 268 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 240690a_100000212058_100011198263 [0,1,1,0,0,0|1,0,1]=4 269 B17R2.440810 C#CCNC(=O)C1CCCc2c1cccc2 527a_100000212058_100011198263 [0,1,1,0,0,0|1,0,1]=4 270 B17R2.440810 C=CCNC(=O)C1CCCc2c1cccc2 1626a_100020586998_100011198263 [0,1,1,0,0,0|1,0,1]=4 271 B17R2.440810 C=CCNC(=O)C1CCCc2c1cccc2 240690a_100020586998_100011198263 [0,1,1,0,0,0|1,0,1]=4 272 B17R2.440810 C=CCNC(=O)C1CCCc2c1cccc2 527a_100020586998_100011198263 [0,1,1,0,0,0|1,0,1]=4 273 B17R2.440810 CCCCC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000210211 [0,1,1,0,0,0|2,0,0]=4 274 B17R2.440810 CCCNC(=O)C1CCCc2c1cccc2 11a_100020643023_100011198263 [0,1,1,0,0,0|1,0,0]=3 275 B17R2.440810 CCCNC(=O)C1CCCc2c1cccc2 1626a_100020643023_100011198263 [0,1,1,0,0,0|1,0,0]=3 276 B17R2.440810 CCCNC(=O)C1CCCc2c1cccc2 240690a_100020643023_100011198263 [0,1,1,0,0,0|1,0,0]=3 277 B17R2.440810 CCCNC(=O)C1CCCc2c1cccc2 527a_100020643023_100011198263 [0,1,1,0,0,0|1,0,0]=3 278 B17R2.440810 CCCNC(=O)C1OCCc2c1cccc2 11a_100020643023_100000026751 [0,1,1,0,0,0|2,0,0]=4 279 B17R2.440810 CCCNC(=O)C1OCCc2c1cccc2 1626a_100020643023_100000026751 [0,1,1,0,0,0|2,0,0]=4 280 B17R2.440810 CCCNC(=O)C1OCCc2c1cccc2 240690a_100020643023_100000026751 [0,1,1,0,0,0|2,0,0]=4 281 B17R2.440810 CCCNC(=O)C1OCCc2c1cccc2 527a_100020643023_100000026751 [0,1,1,0,0,0|2,0,0]=4 282 B17R2.440810 CCNNC(=O)C1CCCc2c1cccc2 22a_100000756455_100011198263 [0,1,1,0,0,0|2,0,0]=4 283 B17R2.440810 N#CCNC(=O)C1CCCc2c1cccc2 1626a_100000734998_100011198263 [0,1,1,0,0,0|0,0,2]=4 284 B17R2.440810 N#CCNC(=O)C1CCCc2c1cccc2 527a_100000734998_100011198263 [0,1,1,0,0,0|0,0,2]=4 285 B17R2.440810 O=C(CCCF)C1CCCc2c1cccc2 1458a_100011198263_100011934791 [0,1,1,0,0,0|2,0,0]=4 286 B17R2.440810 O=C(CCCO)C1CCCc2c1cccc2 1458a_100011198263_100011215043 [0,1,1,0,0,0|2,0,0]=4 287 B17R2.440810 O=C(NCCF)C1CCCc2c1cccc2 11a_100000724931_100011198263 [0,1,1,0,0,0|1,0,0]=3 288 B17R2.440810 O=C(NCCF)C1CCCc2c1cccc2 1626a_100000724931_100011198263 [0,1,1,0,0,0|1,0,0]=3 289 B17R2.440810 O=C(NCCF)C1CCCc2c1cccc2 240690a_100000724931_100011198263 [0,1,1,0,0,0|1,0,0]=3 290 B17R2.440810 O=C(NCCF)C1CCCc2c1cccc2 527a_100000724931_100011198263 [0,1,1,0,0,0|1,0,0]=3 291 B17R2.440810 O=C(NCCF)C1OCCc2c1cccc2 11a_100000724931_100000026751 [0,1,1,0,0,0|2,0,0]=4 292 B17R2.440810 O=C(NCCF)C1OCCc2c1cccc2 1626a_100000724931_100000026751 [0,1,1,0,0,0|2,0,0]=4 293 B17R2.440810 O=C(NCCF)C1OCCc2c1cccc2 240690a_100000724931_100000026751 [0,1,1,0,0,0|2,0,0]=4 294 B17R2.440810 O=C(NCCF)C1OCCc2c1cccc2 527a_100000724931_100000026751 [0,1,1,0,0,0|2,0,0]=4 295 B17R2.440810 O=C(NCCO)C1CCCc2c1cccc2 240690a_100000210304_100011198263 [0,1,1,0,0,0|1,0,0]=3 296 B17R2.440810 O=C(NCCO)C1CCCc2c1cccc2 527a_100000210304_100011198263 [0,1,1,0,0,0|1,0,0]=3 297 B17R2.440810 O=C(NCCO)C1OCCc2c1cccc2 240690a_100000210304_100000026751 [0,1,1,0,0,0|2,0,0]=4 298 B17R2.440810 O=C(NCCO)C1OCCc2c1cccc2 527a_100000210304_100000026751 [0,1,1,0,0,0|2,0,0]=4 299 B17R2.449490 CCC(C)C(=O)C1CCCc2c1cccc2 1458a_100011198263_100000758301 [0,1,1,0,0,0|2,0,0]=4 300 B17R2.449490 CCN(C)C(=O)C1CCCc2c1cccc2 11a_100000225621_100011198263 [0,1,1,0,0,0|1,0,0]=3 301 B17R2.449490 CCN(C)C(=O)C1CCCc2c1cccc2 1626a_100000225621_100011198263 [0,1,1,0,0,0|1,0,0]=3 302 B17R2.449490 CCN(C)C(=O)C1CCCc2c1cccc2 240690a_100000225621_100011198263 [0,1,1,0,0,0|1,0,0]=3 303 B17R2.449490 CCN(C)C(=O)C1CCCc2c1cccc2 527a_100000225621_100011198263 [0,1,1,0,0,0|1,0,0]=3 304 B17R2.449490 CCN(C)C(=O)C1OCCc2c1cccc2 11a_100000225621_100000026751 [0,1,1,0,0,0|2,0,0]=4 305 B17R2.449490 CCN(C)C(=O)C1OCCc2c1cccc2 1626a_100000225621_100000026751 [0,1,1,0,0,0|2,0,0]=4 306 B17R2.449490 CCN(C)C(=O)C1OCCc2c1cccc2 240690a_100000225621_100000026751 [0,1,1,0,0,0|2,0,0]=4 307 B17R2.449490 CCN(C)C(=O)C1OCCc2c1cccc2 527a_100000225621_100000026751 [0,1,1,0,0,0|2,0,0]=4 308 B17R2.712041 CC(C)CC(=O)C1CCCc2c1cccc2 1458a_100011198263_100000210624 [0,1,1,0,0,0|2,0,0]=4 309 B17R2.712041 CC(C)NC(=O)C1CCCc2c1cccc2 11a_100138425928_100011198263 [0,1,1,0,0,0|1,0,0]=3 310 B17R2.712041 CC(C)NC(=O)C1CCCc2c1cccc2 1626a_100138425928_100011198263 [0,1,1,0,0,0|1,0,0]=3 311 B17R2.712041 CC(C)NC(=O)C1CCCc2c1cccc2 240690a_100138425928_100011198263 [0,1,1,0,0,0|1,0,0]=3 312 B17R2.712041 CC(C)NC(=O)C1CCCc2c1cccc2 527a_100138425928_100011198263 [0,1,1,0,0,0|1,0,0]=3 313 B17R2.712041 CC(C)NC(=O)C1OCCc2c1cccc2 11a_100138425928_100000026751 [0,1,1,0,0,0|2,0,0]=4 314 B17R2.712041 CC(C)NC(=O)C1OCCc2c1cccc2 1626a_100138425928_100000026751 [0,1,1,0,0,0|2,0,0]=4 315 B17R2.712041 CC(C)NC(=O)C1OCCc2c1cccc2 240690a_100138425928_100000026751 [0,1,1,0,0,0|2,0,0]=4 316 B17R2.712041 CC(C)NC(=O)C1OCCc2c1cccc2 527a_100138425928_100000026751 [0,1,1,0,0,0|2,0,0]=4 317 B17R2.712041 CC(O)CC(=O)C1CCCc2c1cccc2 1458a_100011198263_100011218427 [0,1,1,0,0,0|2,0,0]=4 318 B19R3.163 Cn1ncnc1N[C@H]2CCCc3c2cccc3 27a_100020654734_100000732653 [0,1,0,0,0,1|1,0,1]=4 319 B15R1.9917 CCNC(=O)C(NCC)c1ccccc1 2230a_100011225631_100000210202 [0,0,2,0,0,0|2,0,0]=4 320 B15R1.9917 CCNC(=O)C(NCC)c1ccccc1 34a_100011225631_100000210202 [0,0,2,0,0,0|2,0,0]=4 321 B15R1.9917 CCNC(=O)C(OCC)c1ccccc1 34a_200000215474_100000210202 [0,0,2,0,0,0|2,0,0]=4 322 B15R1.9917 CCNC(=O)C(OCC)c1ccccc1 7a_200000215474_100000210202 [0,0,2,0,0,0|2,0,0]=4 323 B15R1.528 CCC/C=C/C=C/COCC1=NCCN1 34a_100016294078_100000737910 [0,0,2,0,0,0|1,0,1]=4 324 B15R1.35 CCCNCCCCCc1ccccc1 2230a_100000750932_100000210303 [0,0,2,0,0,0|1,0,1]=4 325 B15R1.35 CCCNCCCCCc1ccccc1 34a_100000750932_100000210303 [0,0,2,0,0,0|1,0,1]=4 326 B15R1.35 FCCNCCCCCc1ccccc1 2230a_100000750932_100011217306 [0,0,2,0,0,0|1,0,1]=4 327 B15R1.35 FCCNCCCCCc1ccccc1 34a_100000724931_200011217138 [0,0,2,0,0,0|1,0,1]=4 328 B15R1.35 FCCNCCCCCc1ccccc1 34a_100000750932_100011217306 [0,0,2,0,0,0|1,0,1]=4 329 B15R1.35 NCCCOCCCCc1ccccc1 34a_100000182051_100000701786 [0,0,2,0,0,0|2,0,0]=4 330 B15R1.35 NCCOCCCCCc1ccccc1 34a_100000210304_200011217138 [0,0,2,0,0,0|1,0,1]=4 331 B15R1.35 OCCNCCCCCc1ccccc1 2230a_100000750932_100000211926 [0,0,2,0,0,0|1,0,1]=4 332 B15R1.35 OCCNCCCCCc1ccccc1 2230a_100016997473_200011217138 [0,0,2,0,0,0|1,0,1]=4 333 B15R1.35 OCCNCCCCCc1ccccc1 34a_100000750932_100000211926 [0,0,2,0,0,0|1,0,1]=4 334 B15R1.35 OCCNCCCCCc1ccccc1 34a_100016990907_200011217138 [0,0,2,0,0,0|1,0,1]=4 335 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100000211992_100000701786 [0,0,2,0,0,0|2,0,0]=4 336 B15R1.778 CCCC(=O)CCCCc1ccccc1 1458a_100011215911_100000210303 [0,0,2,0,0,0|2,0,0]=4 337 B15R1.778 CCNC(=O)CCCCc1ccccc1 11a_100015525214_100011215911 [0,0,2,0,0,0|1,0,0]=3 338 B15R1.778 CCNC(=O)CCCCc1ccccc1 240690a_100015525214_100011215911 [0,0,2,0,0,0|1,0,0]=3 339 B15R1.778 CCNC(=O)CCCCc1ccccc1 527a_100015525214_100011215911 [0,0,2,0,0,0|1,0,0]=3 340 B15R1.778 CCNC(=O)CCCOc1ccccc1 11a_100015525214_100000212059 [0,0,2,0,0,0|2,0,0]=4 341 B15R1.778 CCNC(=O)CCCOc1ccccc1 240690a_100015525214_100000212059 [0,0,2,0,0,0|2,0,0]=4 342 B15R1.778 CCNC(=O)CCCOc1ccccc1 527a_100015525214_100000212059 [0,0,2,0,0,0|2,0,0]=4 343 B15R1.778 CCNC(=O)CCCSc1ccccc1 11a_100015525214_100000182835 [0,0,2,0,0,0|2,0,0]=4 344 B15R1.778 CCNC(=O)CCCSc1ccccc1 240690a_100015525214_100000182835 [0,0,2,0,0,0|2,0,0]=4 345 B15R1.778 CCNC(=O)CCCSc1ccccc1 527a_100015525214_100000182835 [0,0,2,0,0,0|2,0,0]=4 346 B15R1.778 CCNC(=O)CCNCc1ccccc1 207a_100025743525_100015611070 [0,0,2,0,0,0|2,0,0]=4 347 B15R1.778 CCNC(=O)CCNCc1ccccc1 2230a_100015324214_100000737597 [0,0,2,0,0,0|2,0,0]=4 348 B15R1.778 CCNC(=O)CCNCc1ccccc1 270004a_100025743525_100015611070 [0,0,2,0,0,0|2,0,0]=4 349 B15R1.778 CCNC(=O)CCNCc1ccccc1 34a_100025743525_100015291786 [0,0,2,0,0,0|2,0,0]=4 350 B15R1.778 CCNC(=O)CCOCc1ccccc1 11a_100015525214_100000743319 [0,0,2,0,0,0|2,0,0]=4 351 B15R1.778 CCNC(=O)CCOCc1ccccc1 240690a_100015525214_100000743319 [0,0,2,0,0,0|2,0,0]=4 352 B15R1.778 CCNC(=O)CCOCc1ccccc1 527a_100015525214_100000743319 [0,0,2,0,0,0|2,0,0]=4 353 B15R1.778 CCNC(=O)CCOCc1ccccc1 7a_100000210790_100000737597 [0,0,2,0,0,0|2,0,0]=4 354 B15R1.778 CCNC(=O)CCSCc1ccccc1 11a_100015525214_100000173759 [0,0,2,0,0,0|2,0,0]=4 355 B15R1.778 CCNC(=O)CCSCc1ccccc1 240690a_100015525214_100000173759 [0,0,2,0,0,0|2,0,0]=4 356 B15R1.778 CCNC(=O)CCSCc1ccccc1 527a_100015525214_100000173759 [0,0,2,0,0,0|2,0,0]=4 357 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000211182_100000737597 [0,0,2,0,0,0|2,0,0]=4 358 B15R1.778 CCNC(=O)CCSCc1ccccc1 62a_100000737597_100015291786 [0,0,2,0,0,0|2,0,0]=4 359 B15R1.778 CCNC(=O)CNCCc1ccccc1 2230a_100000106460_100000183381 [0,0,2,0,0,0|2,0,0]=4 360 B15R1.778 CCNC(=O)CNCCc1ccccc1 2230a_100016988866_100000765856 [0,0,2,0,0,0|2,0,0]=4 361 B15R1.778 CCNC(=O)CNCCc1ccccc1 34a_100000106460_100000183381 [0,0,2,0,0,0|2,0,0]=4 362 B15R1.778 CCNC(=O)COCCc1ccccc1 34a_100000210268_100000183381 [0,0,2,0,0,0|2,0,0]=4 363 B15R1.778 CCNC(=O)COCCc1ccccc1 7a_100000210268_100000183381 [0,0,2,0,0,0|2,0,0]=4 364 B15R1.778 CCNC(=O)CSCCc1ccccc1 62a_100000183381_100011218657 [0,0,2,0,0,0|2,0,0]=4 365 B15R1.778 CCNC(=O)CSCCc1ccccc1 62a_100000765856_100000183381 [0,0,2,0,0,0|2,0,0]=4 366 B15R1.778 CCNC(=O)NCCCc1ccccc1 2708a_100000211184_100015525214 [0,0,2,0,0,0|2,0,0]=4 367 B15R1.778 CCNC(=O)NCCCc1ccccc1 2708a_100015525214_100000211184 [0,0,2,0,0,0|2,0,0]=4 368 B15R1.778 CCNC(=O)NCCCc1ccccc1 273464a_100000211184_100015525214 [0,0,2,0,0,0|2,0,0]=4 369 B15R1.778 CCNC(=O)NCCCc1ccccc1 273464a_100015525214_100000211184 [0,0,2,0,0,0|2,0,0]=4 370 B15R1.778 CCNC(=O)NCCCc1ccccc1 512a_100000211184_100015525214 [0,0,2,0,0,0|2,0,0]=4 371 B15R1.778 CCNC(=O)NCCCc1ccccc1 512a_100015525214_100000211184 [0,0,2,0,0,0|2,0,0]=4 372 B15R1.778 CCNC(C)CCCCc1ccccc1 270004a_100015525214_200011485782 [0,0,2,0,0,0|1,0,1]=4 373 B15R1.778 CNNC(=O)CCCCc1ccccc1 22a_100016993582_100011215911 [0,0,2,0,0,0|2,0,0]=4 374 B15R1.3880 CCCc1ccccc1NC(=O)NCC 2430a_100000737634_100015525214 [0,0,2,0,0,0|2,0,0]=4 375 B15R1.3880 CCCc1ccccc1NC(=O)NCC 512a_100000737634_100015525214 [0,0,2,0,0,0|2,0,0]=4 376 B15R1.3880 CCNC(=O)Cc1ccccc1OCC 11a_100015525214_100011247627 [0,0,2,0,0,0|2,0,0]=4 377 B15R1.3880 CCNC(=O)Cc1ccccc1OCC 240690a_100015525214_100011247627 [0,0,2,0,0,0|2,0,0]=4 378 B15R1.3880 CCNC(=O)Cc1ccccc1OCC 527a_100015525214_100011247627 [0,0,2,0,0,0|2,0,0]=4 379 B15R1.3880 CCNC(=O)Cc1ccccc1SCC 62a_100000210202_200009816148 [0,0,2,0,0,0|2,0,0]=4 380 B15R1.3880 CCNC(=O)Cc1ccccc1SCC 62a_200009816148_100000210202 [0,0,2,0,0,0|2,0,0]=4 381 B15R1.3954 CCNC(=O)C(C)c1ccccc1OC 11a_100015525214_100011435281 [0,0,2,0,0,0|2,0,0]=4 382 B15R1.3954 CCNC(=O)C(C)c1ccccc1OC 240690a_100015525214_100011435281 [0,0,2,0,0,0|2,0,0]=4 383 B15R1.3954 CCNC(=O)C(C)c1ccccc1OC 527a_100015525214_100011435281 [0,0,2,0,0,0|2,0,0]=4 384 B15R1.10394 CCNC(=O)C(CC)c1ccccc1Cl 11a_100015525214_100011667493 [0,0,2,0,0,0|2,0,0]=4 385 B15R1.10394 CCNC(=O)C(CC)c1ccccc1Cl 240690a_100015525214_100011667493 [0,0,2,0,0,0|2,0,0]=4 386 B15R1.10394 CCNC(=O)C(CC)c1ccccc1Cl 527a_100015525214_100011667493 [0,0,2,0,0,0|2,0,0]=4 387 B15R1.10394 CCNC(=O)C(OC)c1ccccc1C 11a_100015525214_100012277922 [0,0,2,0,0,0|2,0,0]=4 388 B15R1.10394 CCNC(=O)C(OC)c1ccccc1C 240690a_100015525214_100012277922 [0,0,2,0,0,0|2,0,0]=4 389 B15R1.10394 CCNC(=O)C(OC)c1ccccc1C 527a_100015525214_100012277922 [0,0,2,0,0,0|2,0,0]=4 390 B15R1.10394 CCNC(=O)N(CC)c1ccccc1C 512a_100000211084_100015525214 [0,0,2,0,0,0|2,0,0]=4 391 B15R1.10394 CCNC(=O)N(CC)c1ccccc1C 512a_100015525214_100000211084 [0,0,2,0,0,0|2,0,0]=4 392 B17R3.1898 c1ccc2c(c1)CC2SCC3=NCCN3 62a_100000737910_100009813401 [0,0,1,1,0,0|1,0,0]=3 393 B17R3.1898 c1ccc2c(c1)CC2SCC3=NCCN3 62a_100009813401_100000737910 [0,0,1,1,0,0|1,0,0]=3 394 B15R2.2194 c1cc(cs1)CCNCC2=NCCN2 34a_100000692642_100000737910 [0,0,1,0,1,0|2,0,0]=4 395 B15R2.2194 c1cc(cs1)CCOCC2=NCCN2 34a_100000748821_100000737910 [0,0,1,0,1,0|2,0,0]=4 396 B15R2.2194 c1ccn(c1)CCNCC2=NCCN2 34a_100011368172_100000737910 [0,0,1,0,1,0|2,0,0]=4 397 B15R2.2194 c1ccn(c1)CCOCC2=NCCN2 34a_100000179382_100000737910 [0,0,1,0,1,0|2,0,0]=4 398 B15R2.2194 c1ccn(c1)CCSCC2=NCCN2 62a_100000737910_200000035178 [0,0,1,0,1,0|2,0,0]=4 399 B15R2.2194 c1ccn(c1)CCSCC2=NCCN2 62a_200009811947_100000737910 [0,0,1,0,1,0|2,0,0]=4 400 B15R2.2194 c1coc(c1)CCNCC2=NCCN2 34a_100000694680_100000737910 [0,0,1,0,1,0|2,0,0]=4 401 B15R2.2194 c1csc(c1)CCNCC2=NCCN2 34a_100000203755_100000737910 [0,0,1,0,1,0|2,0,0]=4 402 B15R2.2194 c1csc(c1)CCOCC2=NCCN2 34a_100011216825_100000737910 [0,0,1,0,1,0|2,0,0]=4 403 B15R2.2194 c1csc(c1)CCOCC2=NCCN2 7a_100011216825_100000737910 [0,0,1,0,1,0|2,0,0]=4 404 B15R2.2194 c1csc(c1)CCSCC2=NCCN2 62a_100000737910_100000748579 [0,0,1,0,1,0|2,0,0]=4 405 B15R2.2194 c1csc(c1)CCSCC2=NCCN2 62a_100000748579_100000737910 [0,0,1,0,1,0|2,0,0]=4 406 B15R2.2196 c1cc(ccn1)CSCC2=NCCN2 62a_100000737910_100015193705 [0,0,1,0,1,0|2,0,0]=4 407 B15R2.2196 c1cc(ccn1)CSCC2=NCCN2 62a_100015193705_100000737910 [0,0,1,0,1,0|2,0,0]=4 408 B15R2.2196 c1ccc(cc1)CNCC2=NCCN2 34a_100015324214_100000737910 [0,0,1,0,1,0|1,0,0]=3 409 B15R2.2196 c1ccc(cc1)COCC2=NCCN2 34a_100000210790_100000737910 [0,0,1,0,1,0|1,0,0]=3 410 B15R2.2196 c1ccc(cc1)COCC2=NCCN2 7a_100000210790_100000737910 [0,0,1,0,1,0|1,0,0]=3 411 B15R2.2196 c1ccc(cc1)CSCC2=NCCN2 62a_100000211182_100000737910 [0,0,1,0,1,0|1,0,0]=3 412 B15R2.2196 c1ccc(cc1)CSCC2=NCCN2 62a_100000737910_100015291786 [0,0,1,0,1,0|1,0,0]=3 413 B15R2.2196 c1ccc(nc1)CSCC2=NCCN2 62a_100000721315_100000737910 [0,0,1,0,1,0|2,0,0]=4 414 B15R2.2196 c1ccc(nc1)CSCC2=NCCN2 62a_100000737910_100000721315 [0,0,1,0,1,0|2,0,0]=4 415 B15R2.2196 c1cncc(c1)CSCC2=NCCN2 62a_100000737910_100000741622 [0,0,1,0,1,0|2,0,0]=4 416 B15R2.2196 c1cncc(c1)CSCC2=NCCN2 62a_100000741622_100000737910 [0,0,1,0,1,0|2,0,0]=4 417 B15R2.27836 c1ccc(cc1)CCCCN2CCC2 269982a_100000754969_100000701786 [0,0,1,0,1,0|2,0,0]=4 418 B15R2.16721 CCCc1ccccc1CN2CCC2 26a_100000754969_100011217252 [0,0,1,0,1,0|2,0,0]=4 419 B15R2.5 CCCNCC1CCc2c1cccc2 2230a_100020632452_100000210303 [0,0,1,0,1,0|1,0,1]=4 420 B15R2.5 CCCNCC1CCc2c1cccc2 34a_100020632452_100000210303 [0,0,1,0,1,0|1,0,1]=4 421 B15R2.5 FCCNCC1CCc2c1cccc2 2230a_100020632452_100011217306 [0,0,1,0,1,0|1,0,1]=4 422 B15R2.5 FCCNCC1CCc2c1cccc2 34a_100020632452_100011217306 [0,0,1,0,1,0|1,0,1]=4 423 B15R2.5 OCCNCC1CCc2c1cccc2 2230a_100020632452_100000211926 [0,0,1,0,1,0|1,0,1]=4 424 B15R2.5 OCCNCC1CCc2c1cccc2 34a_100020632452_100000211926 [0,0,1,0,1,0|1,0,1]=4 425 B15R2.73 CCCC(=O)C1CCc2c1cccc2 1458a_100000750891_100000210303 [0,0,1,0,1,0|2,0,0]=4 426 B15R2.73 CCNC(=O)C1CCc2c1cccc2 11a_100015525214_100000750891 [0,0,1,0,1,0|1,0,0]=3 427 B15R2.73 CCNC(=O)C1CCc2c1cccc2 240690a_100015525214_100000750891 [0,0,1,0,1,0|1,0,0]=3 428 B15R2.73 CCNC(=O)C1CCc2c1cccc2 527a_100015525214_100000750891 [0,0,1,0,1,0|1,0,0]=3 429 B15R2.73 CNNC(=O)C1CCc2c1cccc2 22a_100016993582_100000750891 [0,0,1,0,1,0|2,0,0]=4 430 B15R3.1736 c1ccc2c(c1)CCC2N3CCC3 269982a_100000754969_200000721974 [0,0,0,0,2,0|2,0,0]=4 431 B17R2.2192 CCCN(CC1=NCCN1)c2ccccc2 269982a_200011218496_100000737910 [0,0,1,0,0,1|1,0,0]=3 432 B17R2.2192 CCCN(CC1=NCCN1)c2ccccc2 34a_200011218496_100000737910 [0,0,1,0,0,1|1,0,0]=3 433 B17R2.2192 OCCN(CC1=NCCN1)c2ccccc2 269982a_100000211345_100000737910 [0,0,1,0,0,1|2,0,0]=4 434 B17R2.2192 OCCN(CC1=NCCN1)c2ccccc2 34a_100000211345_100000737910 [0,0,1,0,0,1|2,0,0]=4 435 B17R2.2383 C(#Cc1ccccc1)CNCC2=NCCN2 34a_100000735379_100000737910 [0,0,1,0,0,1|0,0,2]=4 436 B17R2.2383 C(#Cc1ccccc1)COCC2=NCCN2 34a_100011217464_100000737910 [0,0,1,0,0,1|0,0,2]=4 437 B17R2.2383 C(#Cc1ccccc1)COCC2=NCCN2 7a_100011217464_100000737910 [0,0,1,0,0,1|0,0,2]=4 438 B17R2.2383 C(#Cc1ccccc1)CSCC2=NCCN2 62a_100000737910_100011352542 [0,0,1,0,0,1|0,0,2]=4 439 B17R2.2383 C(=C/c1ccccc1)\CNCC2=NCCN2 34a_100020603302_100000737910 [0,0,1,0,0,1|0,0,2]=4 440 B17R2.2383 C(=C/c1ccccc1)\COCC2=NCCN2 34a_100000210256_100000737910 [0,0,1,0,0,1|0,0,2]=4 441 B17R2.2383 C(=C/c1ccccc1)\CSCC2=NCCN2 62a_100000737910_100016265936 [0,0,1,0,0,1|0,0,2]=4 442 B17R2.2383 C(=C/c1ccccc1)\CSCC2=NCCN2 62a_100016265936_100000737910 [0,0,1,0,0,1|0,0,2]=4 443 B17R2.2383 C1=CCC(=CC1)CCCOCC2=NCCN2 34a_100020667889_100000737910 [0,0,1,0,0,1|0,0,2]=4 444 B17R2.2383 c1cc(ccn1)CCCOCC2=NCCN2 34a_100000210659_100000737910 [0,0,1,0,0,1|1,0,0]=3 445 B17R2.2383 c1cc(ccn1)NCCOCC2=NCCN2 34a_200011243140_100000737910 [0,0,1,0,0,1|2,0,0]=4 446 B17R2.2383 c1ccc(cc1)CCCCSc2ncc[nH]2 62a_100000701786_100025796157 [0,0,1,0,0,1|0,0,2]=4 447 B17R2.2383 c1ccc(cc1)CCCCSc2ncc[nH]2 62a_100025796157_100000701786 [0,0,1,0,0,1|0,0,2]=4 448 B17R2.2383 c1ccc(cc1)CCCNCC2=NCCN2 34a_100000211184_100000737910 [0,0,1,0,0,1|0,0,0]=2 449 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 207a_100000211184_100000743867 [0,0,1,0,0,1|0,0,2]=4 450 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 2230a_100000211184_100016991755 [0,0,1,0,0,1|0,0,2]=4 451 B17R2.2383 c1ccc(cc1)CCCNCc2ncc[nH]2 34a_100000211184_100016991755 [0,0,1,0,0,1|0,0,2]=4 452 B17R2.2383 c1ccc(cc1)CCCNCc2nnc[nH]2 2230a_200015183720_100000211621 [0,0,1,0,0,1|1,0,1]=4 453 B17R2.2383 c1ccc(cc1)CCCNCc2nnn[nH]2 34a_100000211184_100000765167 [0,0,1,0,0,1|2,0,0]=4 454 B17R2.2383 c1ccc(cc1)CCCOCC2=NCCN2 34a_100000210828_100000737910 [0,0,1,0,0,1|0,0,0]=2 455 B17R2.2383 c1ccc(cc1)CCCOCC2=NCCN2 7a_100000210828_100000737910 [0,0,1,0,0,1|0,0,0]=2 456 B17R2.2383 c1ccc(cc1)CCCOC[C@H]2CCCN2 34a_100000745186_100000211621 [0,0,1,0,0,1|1,0,1]=4 457 B17R2.2383 c1ccc(cc1)CCCOCc2ncc[nH]2 34a_100000210828_100016991755 [0,0,1,0,0,1|0,0,2]=4 458 B17R2.2383 c1ccc(cc1)CCCOCc2ncc[nH]2 7a_100000210828_100000753453 [0,0,1,0,0,1|0,0,2]=4 459 B17R2.2383 c1ccc(cc1)CCCOCc2nnn[nH]2 34a_100000210828_100000765167 [0,0,1,0,0,1|2,0,0]=4 460 B17R2.2383 c1ccc(cc1)CCCOCc2nnn[nH]2 7a_100000210828_100000765167 [0,0,1,0,0,1|2,0,0]=4 461 B17R2.2383 c1ccc(cc1)CCCSCC2=NCCN2 62a_100000211621_100000737910 [0,0,1,0,0,1|0,0,0]=2 462 B17R2.2383 c1ccc(cc1)CCCSCC2=NCCN2 62a_100000737910_100000211621 [0,0,1,0,0,1|0,0,0]=2 463 B17R2.2383 c1ccc(cc1)CCCSCc2ncc[nH]2 62a_100000211621_100016991755 [0,0,1,0,0,1|0,0,2]=4 464 B17R2.2383 c1ccc(cc1)CCCSCc2ncc[nH]2 62a_100016991755_100000211621 [0,0,1,0,0,1|0,0,2]=4 465 B17R2.2383 c1ccc(cc1)CCCSCc2nnn[nH]2 62a_100000211621_100000765167 [0,0,1,0,0,1|2,0,0]=4 466 B17R2.2383 c1ccc(cc1)CCCSCc2nnn[nH]2 62a_100000765167_100000211621 [0,0,1,0,0,1|2,0,0]=4 467 B17R2.2383 c1ccc(cc1)CCOCCc2ncc[nH]2 34a_103549771195_100000765856 [0,0,1,0,0,1|0,0,2]=4 468 B17R2.2383 c1ccc(cc1)CCOCCc2nnn[nH]2 7a_100000210268_100000031946 [0,0,1,0,0,1|2,0,0]=4 469 B17R2.2383 c1ccc(cc1)CCSCCc2nnn[nH]2 62a_100000031946_100011218657 [0,0,1,0,0,1|2,0,0]=4 470 B17R2.2383 c1ccc(cc1)CCSCCc2nnn[nH]2 62a_100000765856_100000031946 [0,0,1,0,0,1|2,0,0]=4 471 B17R2.2383 c1ccc(cc1)COCSCC2=NCCN2 62a_100000737910_100000763385 [0,0,1,0,0,1|1,0,0]=3 472 B17R2.2383 c1ccc(cc1)COCSCC2=NCCN2 62a_100000763385_100000737910 [0,0,1,0,0,1|1,0,0]=3 473 B17R2.2383 c1ccc(cc1)CSCSCC2=NCCN2 62a_100000737910_200011217039 [0,0,1,0,0,1|1,0,0]=3 474 B17R2.2383 c1ccc(cc1)CSCSCC2=NCCN2 62a_200011217039_100000737910 [0,0,1,0,0,1|1,0,0]=3 475 B17R2.2383 c1ccc(cc1)NCCOCC2=NCCN2 34a_100000211345_100000737910 [0,0,1,0,0,1|1,0,0]=3 476 B17R2.2383 c1ccc(cc1)OCCNCC2=NCCN2 34a_100000174943_100000737910 [0,0,1,0,0,1|1,0,0]=3 477 B17R2.2383 c1ccc(cc1)OCCOCC2=NCCN2 34a_100000210260_100000737910 [0,0,1,0,0,1|1,0,0]=3 478 B17R2.2383 c1ccc(cc1)OCCOCC2=NCCN2 7a_100000210260_100000737910 [0,0,1,0,0,1|1,0,0]=3 479 B17R2.2383 c1ccc(cc1)OCCSCC2=NCCN2 62a_100000184471_100000737910 [0,0,1,0,0,1|1,0,0]=3 480 B17R2.2383 c1ccc(cc1)OCCSCC2=NCCN2 62a_100000737910_100000184471 [0,0,1,0,0,1|1,0,0]=3 481 B17R2.2383 c1ccc(cc1)SCCOCC2=NCCN2 7a_100000230494_100000737910 [0,0,1,0,0,1|1,0,0]=3 482 B17R2.2383 c1ccc(cc1)SCCSCC2=NCCN2 62a_100000246102_100000737910 [0,0,1,0,0,1|1,0,0]=3 483 B17R2.2383 c1ccc(cc1)SCCSCC2=NCCN2 62a_100000737910_100000246102 [0,0,1,0,0,1|1,0,0]=3 484 B17R2.2383 c1ccc(nc1)CCCOCC2=NCCN2 34a_100011215068_100000737910 [0,0,1,0,0,1|1,0,0]=3 485 B17R2.2383 c1ccc(nc1)SCCOCC2=NCCN2 7a_100000156319_100000737910 [0,0,1,0,0,1|2,0,0]=4 486 B17R2.2383 c1cncc(c1)CCCNCC2=NCCN2 34a_100011532358_100000737910 [0,0,1,0,0,1|1,0,0]=3 487 B17R2.2383 c1cncc(c1)CCCOCC2=NCCN2 34a_100000211284_100000737910 [0,0,1,0,0,1|1,0,0]=3 488 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 34a_100000722297_100000737910 [0,0,1,0,0,1|1,0,0]=3 489 B17R2.4343 BrCCc1ccccc1OCC2=NCCN2 7a_100000722297_100000737910 [0,0,1,0,0,1|1,0,0]=3 490 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 34a_200000189419_100000737910 [0,0,1,0,0,1|0,0,2]=4 491 B17R2.4343 C/C=C/c1ccccc1OCC2=NCCN2 7a_200000189419_100000737910 [0,0,1,0,0,1|0,0,2]=4 492 B17R2.4343 C=CCc1ccccc1NCC2=NCCN2 34a_200138433279_100000737910 [0,0,1,0,0,1|0,0,2]=4 493 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 34a_100000211836_100000737910 [0,0,1,0,0,1|0,0,2]=4 494 B17R2.4343 C=CCc1ccccc1OCC2=NCCN2 7a_100000211836_100000737910 [0,0,1,0,0,1|0,0,2]=4 495 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100000737910_100009828059 [0,0,1,0,0,1|0,0,2]=4 496 B17R2.4343 C=CCc1ccccc1SCC2=NCCN2 62a_100009828059_100000737910 [0,0,1,0,0,1|0,0,2]=4 497 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 34a_100000737634_100000737910 [0,0,1,0,0,1|0,0,0]=2 498 B17R2.4343 CCCc1ccccc1NCC2=NCCN2 7a_100000737634_100000737910 [0,0,1,0,0,1|0,0,0]=2 499 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 207a_100000737634_100000743867 [0,0,1,0,0,1|0,0,2]=4 500 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 2230a_100000737634_100016991755 [0,0,1,0,0,1|0,0,2]=4 501 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 34a_100000737634_100016991755 [0,0,1,0,0,1|0,0,2]=4 502 B17R2.4343 CCCc1ccccc1NCc2ncc[nH]2 7a_100000737634_100000753453 [0,0,1,0,0,1|0,0,2]=4 503 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 34a_100000737634_100000765167 [0,0,1,0,0,1|2,0,0]=4 504 B17R2.4343 CCCc1ccccc1NCc2nnn[nH]2 7a_100000737634_100000765167 [0,0,1,0,0,1|2,0,0]=4 505 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 34a_100011217252_100000737910 [0,0,1,0,0,1|0,0,0]=2 506 B17R2.4343 CCCc1ccccc1OCC2=NCCN2 7a_100011217252_100000737910 [0,0,1,0,0,1|0,0,0]=2 507 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 34a_100011217252_100016991755 [0,0,1,0,0,1|0,0,2]=4 508 B17R2.4343 CCCc1ccccc1OCc2ncc[nH]2 7a_100011217252_100000753453 [0,0,1,0,0,1|0,0,2]=4 509 B17R2.4343 CCCc1ccccc1OCc2nnn[nH]2 34a_100011217252_100000765167 [0,0,1,0,0,1|2,0,0]=4 510 B17R2.4343 CCCc1ccccc1OCc2nnn[nH]2 7a_100011217252_100000765167 [0,0,1,0,0,1|2,0,0]=4 511 B17R2.4343 CCCc1ncncc1SCC2=NCCN2 62a_100000737910_100009816987 [0,0,1,0,0,1|2,0,0]=4 512 B17R2.4343 CCCc1ncncc1SCC2=NCCN2 62a_100009816987_100000737910 [0,0,1,0,0,1|2,0,0]=4 513 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 34a_103624766699_100000737910 [0,0,1,0,0,1|1,0,0]=3 514 B17R2.4343 CCNc1ccccc1OCC2=NCCN2 7a_103624766699_100000737910 [0,0,1,0,0,1|1,0,0]=3 515 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_100000737910_114873767003 [0,0,1,0,0,1|1,0,0]=3 516 B17R2.4343 CCNc1ccccc1SCC2=NCCN2 62a_114873767003_100000737910 [0,0,1,0,0,1|1,0,0]=3 517 B17R2.4343 CCOc1ccccc1NCC2=NCCN2 34a_100000211218_100000737910 [0,0,1,0,0,1|1,0,0]=3 518 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 34a_100000211404_100000737910 [0,0,1,0,0,1|1,0,0]=3 519 B17R2.4343 CCOc1ccccc1OCC2=NCCN2 7a_100000211404_100000737910 [0,0,1,0,0,1|1,0,0]=3 520 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000230754_100000737910 [0,0,1,0,0,1|1,0,0]=3 521 B17R2.4343 CCOc1ccccc1SCC2=NCCN2 62a_100000737910_100000230754 [0,0,1,0,0,1|1,0,0]=3 522 B17R2.4343 CCOc1cccnc1SCC2=NCCN2 62a_100000737910_100011597540 [0,0,1,0,0,1|2,0,0]=4 523 B17R2.4343 CCOc1cccnc1SCC2=NCCN2 62a_100011597540_100000737910 [0,0,1,0,0,1|2,0,0]=4 524 B17R2.4343 CCOc1ncccc1OCC2=NCCN2 34a_100011998697_100000737910 [0,0,1,0,0,1|2,0,0]=4 525 B17R2.4343 CCOc1ncccc1SCC2=NCCN2 62a_100000737910_100011465154 [0,0,1,0,0,1|2,0,0]=4 526 B17R2.4343 CCOc1ncccc1SCC2=NCCN2 62a_100011465154_100000737910 [0,0,1,0,0,1|2,0,0]=4 527 B17R2.4343 CCSc1ccccc1NCC2=NCCN2 34a_100011223125_100000737910 [0,0,1,0,0,1|1,0,0]=3 528 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000230856_100000737910 [0,0,1,0,0,1|1,0,0]=3 529 B17R2.4343 CCSc1ccccc1SCC2=NCCN2 62a_100000737910_100000230856 [0,0,1,0,0,1|1,0,0]=3 530 B17R2.4343 CNCc1ccccc1OCC2=NCCN2 34a_100015189988_100000737910 [0,0,1,0,0,1|1,0,0]=3 531 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000184654_100000737910 [0,0,1,0,0,1|1,0,0]=3 532 B17R2.4343 CNCc1ccccc1SCC2=NCCN2 62a_100000737910_100000184654 [0,0,1,0,0,1|1,0,0]=3 533 B17R2.4343 CNCc1cccnc1SCC2=NCCN2 62a_100000737910_103496529121 [0,0,1,0,0,1|2,0,0]=4 534 B17R2.4343 CNCc1cccnc1SCC2=NCCN2 62a_103496529121_100000737910 [0,0,1,0,0,1|2,0,0]=4 535 B17R2.4343 COCc1ccccc1OCC2=NCCN2 34a_100011488565_100000737910 [0,0,1,0,0,1|1,0,0]=3 536 B17R2.4343 COCc1ccccc1OCC2=NCCN2 7a_100011488565_100000737910 [0,0,1,0,0,1|1,0,0]=3 537 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100000737910_100011493684 [0,0,1,0,0,1|1,0,0]=3 538 B17R2.4343 COCc1ccccc1SCC2=NCCN2 62a_100011493684_100000737910 [0,0,1,0,0,1|1,0,0]=3 539 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000148299_100000737910 [0,0,1,0,0,1|1,0,0]=3 540 B17R2.4343 CSCc1ccccc1SCC2=NCCN2 62a_100000737910_100000148299 [0,0,1,0,0,1|1,0,0]=3 541 B17R2.4343 N#CCc1ccccc1OCC2=NCCN2 34a_100000043107_100000737910 [0,0,1,0,0,1|1,0,1]=4 542 B17R2.4343 N#CCc1ccccc1OCC2=NCCN2 7a_100000043107_100000737910 [0,0,1,0,0,1|1,0,1]=4 543 B17R2.4343 N#CCc1ccccc1SCC2=NCCN2 62a_100000033512_100000737910 [0,0,1,0,0,1|1,0,1]=4 544 B17R2.4343 N#CCc1ccccc1SCC2=NCCN2 62a_100000737910_100000033512 [0,0,1,0,0,1|1,0,1]=4 545 B17R2.4343 NCCc1ccccc1OCC2=NCCN2 34a_100011207237_100000737910 [0,0,1,0,0,1|1,0,0]=3 546 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000747383 [0,0,1,0,0,1|1,0,0]=3 547 B17R2.4343 NCCc1ccccc1SCC2=NCCN2 62a_100000747383_100000737910 [0,0,1,0,0,1|1,0,0]=3 548 B17R2.4343 NNCc1ccccc1SCC2=NCCN2 62a_100000737910_200016993956 [0,0,1,0,0,1|2,0,0]=4 549 B17R2.4343 NNCc1ccccc1SCC2=NCCN2 62a_200016993956_100000737910 [0,0,1,0,0,1|2,0,0]=4 550 B17R2.4343 OCCc1ccccc1NCC2=NCCN2 34a_100011215289_100000737910 [0,0,1,0,0,1|1,0,0]=3 551 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 34a_100000719421_100000737910 [0,0,1,0,0,1|1,0,0]=3 552 B17R2.4343 OCCc1ccccc1OCC2=NCCN2 7a_100000719421_100000737910 [0,0,1,0,0,1|1,0,0]=3 553 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000731337_100000737910 [0,0,1,0,0,1|1,0,0]=3 554 B17R2.4343 OCCc1ccccc1SCC2=NCCN2 62a_100000737910_100000731337 [0,0,1,0,0,1|1,0,0]=3 555 B17R2.2749 COc1ccccc1N(C)CC2=NCCN2 269982a_100000219746_100000737910 [0,0,1,0,0,1|2,0,0]=4 556 B17R2.2749 COc1ccccc1N(C)CC2=NCCN2 34a_100000219746_100000737910 [0,0,1,0,0,1|2,0,0]=4 557 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2Br 269982a_114873767003_100000737910 [0,0,1,0,0,1|2,0,0]=4 558 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2Br 34a_114873767003_100000737910 [0,0,1,0,0,1|2,0,0]=4 559 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2C 269982a_100000211084_100000737910 [0,0,1,0,0,1|1,0,0]=3 560 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2C 34a_100000211084_100000737910 [0,0,1,0,0,1|1,0,0]=3 561 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2F 269982a_100000220365_100000737910 [0,0,1,0,0,1|2,0,0]=4 562 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2F 34a_100000220365_100000737910 [0,0,1,0,0,1|2,0,0]=4 563 B17R2.48520 CCN(CC1=NCCN1)c2ccccc2O 269982a_103624766699_100000737910 [0,0,1,0,0,1|2,0,0]=4 564 B17R2.6203 CCNC(=O)C1CCOc2ccccc2O1 11a_100015525214_100000097261 [0,0,1,0,0,1|2,0,0]=4 565 B17R2.6203 CCNC(=O)C1CCOc2ccccc2O1 240690a_100015525214_100000097261 [0,0,1,0,0,1|2,0,0]=4 566 B17R2.6203 CCNC(=O)C1CCOc2ccccc2O1 527a_100015525214_100000097261 [0,0,1,0,0,1|2,0,0]=4 567 B17R2.6203 CCNC(=O)N1CCCc2ccccc2C1 2708a_100015525214_100000059810 [0,0,1,0,0,1|2,0,0]=4 568 B17R2.6203 CCNC(=O)N1CCCc2ccccc2C1 273464a_100015525214_100000059810 [0,0,1,0,0,1|2,0,0]=4 569 B19R3.2360 c1ccc2c(c1)CCCN(C2)CC3=NCCN3 269982a_100000059810_100000737910 [0,0,0,0,0,2|1,0,0]=3 570 B19R3.2360 c1ccc2c(c1)CCCN(C2)CC3=NCCN3 34a_100000059810_100000737910 [0,0,0,0,0,2|1,0,0]=3 571 B19R3.2360 c1ccc2c(c1)CN(CCO2)CC3=NCCN3 269982a_100000744108_100000737910 [0,0,0,0,0,2|2,0,0]=4 572 B19R3.2360 c1ccc2c(c1)CN(CCO2)CC3=NCCN3 34a_100000744108_100000737910 [0,0,0,0,0,2|2,0,0]=4 573 B19R3.4444 c1ccc2c(c1)CCCC2NCc3nnn[nH]3 269862a_100000739814_100000210882 [0,0,0,0,0,2|2,0,0]=4 574 B19R3.4444 c1ccc2c(c1)CCCC2NN=C3CCCC3 4a_100159326319_100000210133 [0,0,0,0,0,2|2,0,0]=4 575 B19R3.4444 c1ccc2c(c1)CCCC2OCC3=NCCN3 34a_100000183665_100000737910 [0,0,0,0,0,2|0,0,0]=2 576 B19R3.4444 c1ccc2c(c1)CCCC2OCC3=NCCN3 7a_100000183665_100000737910 [0,0,0,0,0,2|0,0,0]=2 577 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncc[nH]3 34a_100000183665_100016991755 [0,0,0,0,0,2|0,0,2]=4 578 B19R3.4444 c1ccc2c(c1)CCCC2OCc3ncc[nH]3 7a_100000183665_100000753453 [0,0,0,0,0,2|0,0,2]=4 579 B19R3.4444 c1ccc2c(c1)CCCC2OCc3nnn[nH]3 34a_100000183665_100000765167 [0,0,0,0,0,2|2,0,0]=4 580 B19R3.4444 c1ccc2c(c1)CCCC2OCc3nnn[nH]3 7a_100000183665_100000765167 [0,0,0,0,0,2|2,0,0]=4 581 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCC3=NCCN3 34a_100020654734_100000737910 [0,0,0,0,0,2|0,0,0]=2 582 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncc[nH]3 207a_100020654734_100000743867 [0,0,0,0,0,2|0,0,2]=4 583 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3ncc[nH]3 34a_100020654734_100016991755 [0,0,0,0,0,2|0,0,2]=4 584 B19R3.4444 c1ccc2c(c1)CCC[C@@H]2NCc3nnn[nH]3 34a_100020654734_100000765167 [0,0,0,0,0,2|2,0,0]=4 585 B19R3.4444 c1ccc2c(c1)COCC2OCC3=NCCN3 34a_100012179175_100000737910 [0,0,0,0,0,2|1,0,0]=3 586 B19R3.4444 c1ccc2c(c1)OCCC2OCC3=NCCN3 7a_100000708930_100000737910 [0,0,0,0,0,2|1,0,0]=3